6-acetyl-2-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Basic information
- CAS
339572-22-4- Standard SMILES
COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(I)c(OCc5cccc6ccccc56)c(OC)c4)c(=O)n32)cc1- InChIKey
NZZXUJCBKAZYBS-UHFFFAOYSA-N- Molecular formula
- C35H29IN2O5S
- Average molar mass
- 716.6 g/mol
Names & identifiers
- Preferred name
- 6-acetyl-2-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
- IUPAC
- 6-acetyl-2-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
- English name
- 6-acetyl-2-[3-iodo-5-methoxy-4-(1-naphthylmethoxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
- Molecular formula
- C35H29IN2O5S
- Molecular weight
- 716.59
Names & synonyms
6-acetyl-2-[3-iodo-5-methoxy-4-(1-naphthylmethoxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Database identifiers
- CAS
339572-22-4
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,180
Physicochemical properties
- Boiling point
- 820.413 · 820.413±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.487 · 1.487±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.252 · -4.252±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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